ethyl 5-methyl-2-(1-phenylcyclopropyl)-1,3-thiazole-4-carboxylate

C16H17NO2S — CID 116526208

IUPACethyl 5-methyl-2-(1-phenylcyclopropyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C2(c3ccccc3)CC2)sc1C
InChIInChI=1S/C16H17NO2S/c1-3-19-14(18)13-11(2)20-15(17-13)16(9-10-16)12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3
InChIKeyLVZJDYFYHLJJLV-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.71
Rot. Bonds4

About ethyl 5-methyl-2-(1-phenylcyclopropyl)-1,3-thiazole-4-carboxylate

ethyl 5-methyl-2-(1-phenylcyclopropyl)-1,3-thiazole-4-carboxylate (PubChem CID 116526208) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is ethyl 5-methyl-2-(1-phenylcyclopropyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-(1-phenylcyclopropyl)-1,3-thiazole-4-carboxylate
PubChem CID116526208
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Nameethyl 5-methyl-2-(1-phenylcyclopropyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C2(c3ccccc3)CC2)sc1C
InChIInChI=1S/C16H17NO2S/c1-3-19-14(18)13-11(2)20-15(17-13)16(9-10-16)12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3
InChIKeyLVZJDYFYHLJJLV-UHFFFAOYSA-N
XLogP3.71
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(1-aminocycloheptyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116527165
ethyl 2-(1-methoxy-4,4-dimethylcyclohexyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116744473
ethyl 2-[2-(1-phenylcyclopropyl)-1,3-thiazol-4-yl]acetate
CID 80573999
ethyl 1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole-3-carboxylate
CID 63381973
ethyl 5-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 116526140
ethyl 2,5-diphenyl-1,3-thiazole-4-carboxylate
CID 11001366
ethyl 5-methyl-2-pyridin-4-yl-1,3-thiazole-4-carboxylate
CID 112693784
ethyl 5-methyl-2-[(2-methylcyclopropanecarbonyl)-(2-phenylethyl)amino]-1,3-thiazole-4-carboxylate
CID 55369710
ethyl 2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116744479
ethyl 5-methyl-2-(2-nitrophenyl)-1,3-thiazole-4-carboxylate
CID 116526243
ethyl 2-chloro-5-methyl-1,3-thiazole-4-carboxylate
CID 53302340
ethane;ethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate
CID 145143337

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-(1-phenylcyclopropyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-2-(1-phenylcyclopropyl)-1,3-thiazole-4-carboxylate (CID 116526208) is ethyl 5-methyl-2-(1-phenylcyclopropyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-(1-phenylcyclopropyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-(1-phenylcyclopropyl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(C2(c3ccccc3)CC2)sc1C.
What is the InChIKey of ethyl 5-methyl-2-(1-phenylcyclopropyl)-1,3-thiazole-4-carboxylate?
The InChIKey is LVZJDYFYHLJJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-3-19-14(18)13-11(2)20-15(17-13)16(9-10-16)12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3.
What are the key properties of ethyl 5-methyl-2-(1-phenylcyclopropyl)-1,3-thiazole-4-carboxylate?
ethyl 5-methyl-2-(1-phenylcyclopropyl)-1,3-thiazole-4-carboxylate has a molecular weight of 287.38 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-(1-phenylcyclopropyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 116526208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).